(5Z)-5-[(2-iodophenyl)methylidene]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-2,4-dione
Formula:C16H15N2O3IS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[(2-iodophenyl)methylidene]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-5-[(2-iodophenyl)methylidene]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C16H15N2O3IS |
| Smiles | O=C(CN(C(/C(/S1)=C/c(cccc2)c2I)=O)C1=O)N1CCCC1 |
| InChI | InChI=1S/C16H15IN2O3S/c17-12-6-2-1-5-11(12)9-13-15(21)19(16(22)23-13)10-14(20)18-7-3-4-8-18/h1-2,5-6,9H,3-4,7-8,10H2 |
| InChIK | ZXUKYJZMDHQAHL-UHFFFAOYSA-N |
| TotalMolweight | 442.272 |
| Molweight | 442.272 |
| MonoisotopicMass | 441.984811 |
| CLogP | 2.3206 |
| CLogS | -3.894 |
| H Acceptors | 5 |
| TotalSurfaceArea | 257.39 |
| Relative PSA | 0.24752 |
| PolarSurfaceArea | 82.99 |
| Druglikeness | 5.5307 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - (5Z)-5-[(2-iodophenyl)methylidene]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-2,4-dione | 2 - (5Z)-5-[(2-iodophenyl)methylidene]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-2,4-dione
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